2-(naphthalen-2-ylmethoxy)ethyl carbamimidate

C14H16N2O2 — CID 163811315

IUPAC2-(naphthalen-2-ylmethoxy)ethyl carbamimidate
SMILES[H]/N=C(\N)OCCOCc1ccc2ccccc2c1
InChIInChI=1S/C14H16N2O2/c15-14(16)18-8-7-17-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9H,7-8,10H2,(H3,15,16)
InChIKeyNNMUSQMARWFZEU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds5

About 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate

2-(naphthalen-2-ylmethoxy)ethyl carbamimidate (PubChem CID 163811315) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethoxy)ethyl carbamimidate
PubChem CID163811315
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(naphthalen-2-ylmethoxy)ethyl carbamimidate
SMILES[H]/N=C(\N)OCCOCc1ccc2ccccc2c1
InChIInChI=1S/C14H16N2O2/c15-14(16)18-8-7-17-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9H,7-8,10H2,(H3,15,16)
InChIKeyNNMUSQMARWFZEU-UHFFFAOYSA-N
XLogP2.27
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826
2-(ethoxymethyl)naphthalene
CID 11063138
2-(octoxymethyl)naphthalene
CID 101192870
(Z)-4-(naphthalen-2-ylmethoxy)but-2-en-1-ol
CID 53305482
N-methyl-2-(naphthalen-2-ylmethoxy)acetohydrazide
CID 116845423
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
CID 57459119
CID 57459119
1-(butoxymethyl)naphthalene;2-(butoxymethyl)naphthalene
CID 91406926
1-(naphthalen-2-ylmethoxy)-4-sulfanylbutan-2-ol
CID 88891115
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
3,5-bis(2-naphthalen-2-ylethyl)phenol
CID 171715370
3-naphthalen-2-ylpropanenitrile
CID 13308301

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate?
The IUPAC name of 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate (CID 163811315) is 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate.
What is the SMILES notation for 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate?
The canonical SMILES for 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate is [H]/N=C(\N)OCCOCc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate?
The InChIKey is NNMUSQMARWFZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14(16)18-8-7-17-10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9H,7-8,10H2,(H3,15,16).
What are the key properties of 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate?
2-(naphthalen-2-ylmethoxy)ethyl carbamimidate has a molecular weight of 244.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethoxy)ethyl carbamimidate is sourced from PubChem (CID 163811315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).